smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC([NH3+])(CCCC)CCCC ZINC000002002539 342965906 /nfs/dbraw/zinc/96/59/06/342965906.db2.gz OBAIHIAMAJBZHZ-UHFFFAOYSA-N 1 0 199.382 4.255 10 0 AIAERO CCCCCC(C)(C)[NH2+]C(C)(C)CC ZINC000004975888 573532470 /nfs/dbraw/zinc/53/24/70/573532470.db2.gz JLYYUTGQVZJZRQ-UHFFFAOYSA-N 1 0 199.382 4.124 10 0 AIAERO CC(C)CCCCCCCCCC[NH3+] ZINC000005758127 371619705 /nfs/dbraw/zinc/61/97/05/371619705.db2.gz NGKIIKNJVVBNNE-UHFFFAOYSA-N 1 0 199.382 4.112 10 0 AIAERO CCCCCC[C@@H](C)[NH2+]CCCCC ZINC000020361353 166855345 /nfs/dbraw/zinc/85/53/45/166855345.db2.gz VJTWMGFMAYCURC-CYBMUJFWSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCCCC([NH3+])CCCCCC ZINC000032136650 343098192 /nfs/dbraw/zinc/09/81/92/343098192.db2.gz FXNJNGMYIZRQRG-UHFFFAOYSA-N 1 0 199.382 4.255 10 0 AIAERO CCCCC([NH3+])(CCCC)C(C)(C)C ZINC000038916851 571775839 /nfs/dbraw/zinc/77/58/39/571775839.db2.gz MNFUKEZIGJPSLW-UHFFFAOYSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC(CCC)[NH2+][C@H](CC)CCC ZINC000050399728 166835830 /nfs/dbraw/zinc/83/58/30/166835830.db2.gz BGQNAFRUTSESPZ-GFCCVEGCSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC(CCC)[NH2+][C@@H](CC)CCC ZINC000050399730 166835294 /nfs/dbraw/zinc/83/52/94/166835294.db2.gz BGQNAFRUTSESPZ-LBPRGKRZSA-N 1 0 199.382 4.124 10 0 AIAERO CCCCC[C@@H](C)[NH2+][C@@H](CC)CCC ZINC000050400962 573415675 /nfs/dbraw/zinc/41/56/75/573415675.db2.gz NBQQYMVBSWZEBG-OLZOCXBDSA-N 1 0 199.382 4.124 10 0 AIAERO CCCCC[C@H](C)[NH2+][C@@H](CC)CCC ZINC000050400964 573413917 /nfs/dbraw/zinc/41/39/17/573413917.db2.gz NBQQYMVBSWZEBG-STQMWFEESA-N 1 0 199.382 4.124 10 0 AIAERO CCCCC[C@@H](C)[NH2+][C@H](CC)CCC ZINC000050400967 573414825 /nfs/dbraw/zinc/41/48/25/573414825.db2.gz NBQQYMVBSWZEBG-CHWSQXEVSA-N 1 0 199.382 4.124 10 0 AIAERO CCCCC[C@H](C)[NH2+][C@H](CC)CCC ZINC000050400969 573416736 /nfs/dbraw/zinc/41/67/36/573416736.db2.gz NBQQYMVBSWZEBG-QWHCGFSZSA-N 1 0 199.382 4.124 10 0 AIAERO CC(C)[PH+](C(C)C)C1CCCC1 ZINC000060290484 343352754 /nfs/dbraw/zinc/35/27/54/343352754.db2.gz FZENENOLCLVLHZ-UHFFFAOYSA-N 1 0 186.279 4.228 10 0 AIAERO CCCCCC[NH2+][C@@H](CC)CCCC ZINC000068985872 572013250 /nfs/dbraw/zinc/01/32/50/572013250.db2.gz PWAKVMAYFVCTKE-ZDUSSCGKSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCCC[NH2+][C@H](CC)CCCC ZINC000068985876 572012503 /nfs/dbraw/zinc/01/25/03/572012503.db2.gz PWAKVMAYFVCTKE-CYBMUJFWSA-N 1 0 199.382 4.125 10 0 AIAERO CCCC[C@@H](CC)[NH2+][C@@H](CC)CCC ZINC000068987519 572012213 /nfs/dbraw/zinc/01/22/13/572012213.db2.gz XECUASOEYNOWMG-QWHCGFSZSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@H](CC)[NH2+][C@@H](CC)CCC ZINC000068987523 572013069 /nfs/dbraw/zinc/01/30/69/572013069.db2.gz XECUASOEYNOWMG-STQMWFEESA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@@H](CC)[NH2+][C@H](CC)CCC ZINC000068987527 572013883 /nfs/dbraw/zinc/01/38/83/572013883.db2.gz XECUASOEYNOWMG-CHWSQXEVSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@H](CC)[NH2+][C@H](CC)CCC ZINC000068987531 572011813 /nfs/dbraw/zinc/01/18/13/572011813.db2.gz XECUASOEYNOWMG-OLZOCXBDSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@@H](C)[NH2+][C@@H](CC)CCCC ZINC000068987535 572014105 /nfs/dbraw/zinc/01/41/05/572014105.db2.gz GLCZHDKFYROEMG-OLZOCXBDSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@H](C)[NH2+][C@@H](CC)CCCC ZINC000068987540 572012644 /nfs/dbraw/zinc/01/26/44/572012644.db2.gz GLCZHDKFYROEMG-STQMWFEESA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@@H](C)[NH2+][C@H](CC)CCCC ZINC000068987543 572012733 /nfs/dbraw/zinc/01/27/33/572012733.db2.gz GLCZHDKFYROEMG-CHWSQXEVSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@@H](CC)[NH2+][C@@H](C)CCCC ZINC000068987546 572013810 /nfs/dbraw/zinc/01/38/10/572013810.db2.gz GLCZHDKFYROEMG-QWHCGFSZSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@@H](CC)CCC[C@H]([NH3+])CC ZINC000070742617 571748642 /nfs/dbraw/zinc/74/86/42/571748642.db2.gz WUUOJFNXHFAKPT-CHWSQXEVSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H](CC)CCC[C@H]([NH3+])CC ZINC000070742618 571748449 /nfs/dbraw/zinc/74/84/49/571748449.db2.gz WUUOJFNXHFAKPT-QWHCGFSZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@H](CC)CCC[C@@H]([NH3+])CC ZINC000070742619 571748638 /nfs/dbraw/zinc/74/86/38/571748638.db2.gz WUUOJFNXHFAKPT-OLZOCXBDSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H](CC)CCC[C@@H]([NH3+])CC ZINC000070742620 571748703 /nfs/dbraw/zinc/74/87/03/571748703.db2.gz WUUOJFNXHFAKPT-STQMWFEESA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@H](CC)CC[C@H]([NH3+])CCC ZINC000071083900 571770058 /nfs/dbraw/zinc/77/00/58/571770058.db2.gz VEYOUMPXJWIWCF-CHWSQXEVSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H](CC)CC[C@H]([NH3+])CCC ZINC000071083901 571769624 /nfs/dbraw/zinc/76/96/24/571769624.db2.gz VEYOUMPXJWIWCF-QWHCGFSZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@H](CC)CC[C@@H]([NH3+])CCC ZINC000071083902 571770276 /nfs/dbraw/zinc/77/02/76/571770276.db2.gz VEYOUMPXJWIWCF-OLZOCXBDSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H](CC)CC[C@@H]([NH3+])CCC ZINC000071083903 571768442 /nfs/dbraw/zinc/76/84/42/571768442.db2.gz VEYOUMPXJWIWCF-STQMWFEESA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCCC1([NH3+])CCCCCC1 ZINC000071084909 572791783 /nfs/dbraw/zinc/79/17/83/572791783.db2.gz CSVGSZLHUSPDJB-UHFFFAOYSA-N 1 0 197.366 4.009 10 0 AIAERO CCCC[C@@H](CC)CC([NH3+])(CC)CC ZINC000071084992 571768683 /nfs/dbraw/zinc/76/86/83/571768683.db2.gz TWERIYHLCRINDP-GFCCVEGCSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H](CC)CC([NH3+])(CC)CC ZINC000071084993 571767640 /nfs/dbraw/zinc/76/76/40/571767640.db2.gz TWERIYHLCRINDP-LBPRGKRZSA-N 1 0 199.382 4.110 10 0 AIAERO CC[C@H]1C[C@H](CC)[PH+]1C1CCCC1 ZINC000071254503 571901186 /nfs/dbraw/zinc/90/11/86/571901186.db2.gz FEBRUJMYVIBHRM-QWRGUYRKSA-N 1 0 198.290 4.372 10 0 AIAERO CC[C@@H]1C[C@@H](CC)[PH+]1C1CCCC1 ZINC000071254512 571901850 /nfs/dbraw/zinc/90/18/50/571901850.db2.gz FEBRUJMYVIBHRM-GHMZBOCLSA-N 1 0 198.290 4.372 10 0 AIAERO CCCCC[C@@H](CCCC)[NH2+]CCC ZINC000080299164 571960515 /nfs/dbraw/zinc/96/05/15/571960515.db2.gz QANCIXNXVYREAV-CYBMUJFWSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCCC[C@H]([NH3+])CCC(C)(C)C ZINC000080870153 571970410 /nfs/dbraw/zinc/97/04/10/571970410.db2.gz FUFAKOHHNWJQAJ-LBPRGKRZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@@H]([NH3+])CCC(C)(C)C ZINC000080870159 571972312 /nfs/dbraw/zinc/97/23/12/571972312.db2.gz FUFAKOHHNWJQAJ-GFCCVEGCSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@@H](CCC)[NH2+]CCC ZINC000082434063 572026901 /nfs/dbraw/zinc/02/69/01/572026901.db2.gz ATLIIYSYKXNFRJ-CYBMUJFWSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCCC[C@H](CCC)[NH2+]CCC ZINC000082434064 572027950 /nfs/dbraw/zinc/02/79/50/572027950.db2.gz ATLIIYSYKXNFRJ-ZDUSSCGKSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCC[C@](CC)(C[NH3+])CCCC ZINC000082441769 572027414 /nfs/dbraw/zinc/02/74/14/572027414.db2.gz CPYRFUOMMAPINP-CYBMUJFWSA-N 1 0 199.382 4.112 10 0 AIAERO CCCCC[C@@](CC)(C[NH3+])CCCC ZINC000082441770 572027438 /nfs/dbraw/zinc/02/74/38/572027438.db2.gz CPYRFUOMMAPINP-ZDUSSCGKSA-N 1 0 199.382 4.112 10 0 AIAERO CCCC[C@@H](CC)C[C@](C)([NH3+])CCC ZINC000083185587 572196720 /nfs/dbraw/zinc/19/67/20/572196720.db2.gz ANSBBHRNAZJYQJ-CHWSQXEVSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H](CC)C[C@](C)([NH3+])CCC ZINC000083185589 572198267 /nfs/dbraw/zinc/19/82/67/572198267.db2.gz ANSBBHRNAZJYQJ-QWHCGFSZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@H](CC)C[C@@](C)([NH3+])CCC ZINC000083185590 572198745 /nfs/dbraw/zinc/19/87/45/572198745.db2.gz ANSBBHRNAZJYQJ-OLZOCXBDSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H](CC)C[C@@](C)([NH3+])CCC ZINC000083185592 572197919 /nfs/dbraw/zinc/19/79/19/572197919.db2.gz ANSBBHRNAZJYQJ-STQMWFEESA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@]([NH3+])(CC)C[C@@H](C)CCC ZINC000083186020 572198143 /nfs/dbraw/zinc/19/81/43/572198143.db2.gz AFHJVTQYCKYLFD-STQMWFEESA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@]([NH3+])(CC)CCC(C)(C)C ZINC000083186122 572197966 /nfs/dbraw/zinc/19/79/66/572197966.db2.gz FVSNJSNKIJIIQK-ZDUSSCGKSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@]([NH3+])(CC)CCC(C)(C)C ZINC000083186124 572198865 /nfs/dbraw/zinc/19/88/65/572198865.db2.gz FVSNJSNKIJIIQK-CYBMUJFWSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[NH2+]C(CC)(CC)CC ZINC000083387907 572207311 /nfs/dbraw/zinc/20/73/11/572207311.db2.gz WPIRTRDYDZOVKQ-UHFFFAOYSA-N 1 0 199.382 4.125 10 0 AIAERO CCCC[C@]([NH3+])(CC)C[C@@H](C)CCC ZINC000084892559 571842255 /nfs/dbraw/zinc/84/22/55/571842255.db2.gz AFHJVTQYCKYLFD-QWHCGFSZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@]([NH3+])(CC)C[C@H](C)CCC ZINC000084892561 571840159 /nfs/dbraw/zinc/84/01/59/571840159.db2.gz AFHJVTQYCKYLFD-OLZOCXBDSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@]([NH3+])(CC)C[C@H](C)CCC ZINC000084892562 571840728 /nfs/dbraw/zinc/84/07/28/571840728.db2.gz AFHJVTQYCKYLFD-CHWSQXEVSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@@]([NH3+])(CC)CCCC ZINC000084892582 571842072 /nfs/dbraw/zinc/84/20/72/571842072.db2.gz CWAANJTYTKKAFY-CYBMUJFWSA-N 1 0 199.382 4.255 10 0 AIAERO CCCCCC[C@]([NH3+])(CC)CCCC ZINC000084892583 571841967 /nfs/dbraw/zinc/84/19/67/571841967.db2.gz CWAANJTYTKKAFY-ZDUSSCGKSA-N 1 0 199.382 4.255 10 0 AIAERO CCCCCC[C@@H](CCCC)[NH2+]CC ZINC000086315319 572915887 /nfs/dbraw/zinc/91/58/87/572915887.db2.gz JYXGYALXEKLWDD-CYBMUJFWSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCCC[C@H](CCCC)[NH2+]CC ZINC000086315320 572916110 /nfs/dbraw/zinc/91/61/10/572916110.db2.gz JYXGYALXEKLWDD-ZDUSSCGKSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCC[C@@H](CCCC)[NH2+]C(C)C ZINC000086315587 572916383 /nfs/dbraw/zinc/91/63/83/572916383.db2.gz CQZVMINGHFTSCD-CYBMUJFWSA-N 1 0 199.382 4.124 10 0 AIAERO CCCCC[C@H](CCCC)[NH2+]C(C)C ZINC000086315588 572915333 /nfs/dbraw/zinc/91/53/33/572915333.db2.gz CQZVMINGHFTSCD-ZDUSSCGKSA-N 1 0 199.382 4.124 10 0 AIAERO CCCC[C@@H]([NH3+])C[C@H](CC)CCCC ZINC000086323064 572918520 /nfs/dbraw/zinc/91/85/20/572918520.db2.gz UJYVVDLSQLHQLU-CHWSQXEVSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@H]([NH3+])C[C@@H](CC)CCCC ZINC000086323066 572919050 /nfs/dbraw/zinc/91/90/50/572919050.db2.gz UJYVVDLSQLHQLU-QWHCGFSZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@H](CC)C[C@@H]([NH3+])CCCC ZINC000086323069 572918290 /nfs/dbraw/zinc/91/82/90/572918290.db2.gz UJYVVDLSQLHQLU-OLZOCXBDSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@H]([NH3+])C[C@@H](CC)CCCC ZINC000086323073 572919132 /nfs/dbraw/zinc/91/91/32/572919132.db2.gz UJYVVDLSQLHQLU-STQMWFEESA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC1([NH3+])CCCCCCC1 ZINC000087690180 572682046 /nfs/dbraw/zinc/68/20/46/572682046.db2.gz XSIXYANGMBTZAB-UHFFFAOYSA-N 1 0 197.366 4.009 10 0 AIAERO CC(C)[PH+](C1=CC=CC1)C(C)C ZINC000088466169 573121889 /nfs/dbraw/zinc/12/18/89/573121889.db2.gz OSPDRHWVZGIOJQ-UHFFFAOYSA-N 1 0 182.247 4.129 10 0 AIAERO CC[C@@H]1C[C@H](CC)[P@H+]1C1CCCC1 ZINC000096837982 571716980 /nfs/dbraw/zinc/71/69/80/571716980.db2.gz FEBRUJMYVIBHRM-QYJAPNMZSA-N 1 0 198.290 4.372 10 0 AIAERO CC[PH+](C(C)(C)C)C(C)(C)C ZINC000113522409 573011136 /nfs/dbraw/zinc/01/11/36/573011136.db2.gz WHOBZBLBTZHMGY-UHFFFAOYSA-N 1 0 174.268 4.085 10 0 AIAERO CCCC[PH+](CC)CCCC ZINC000115959229 572642131 /nfs/dbraw/zinc/64/21/31/572642131.db2.gz UIOXCPTYOYGESX-UHFFFAOYSA-N 1 0 174.268 4.088 10 0 AIAERO CCCCCC[C@H]([NH3+])C[C@@H](C)CCC ZINC000126074678 573316698 /nfs/dbraw/zinc/31/66/98/573316698.db2.gz UOCIWGAPFZGZSB-STQMWFEESA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@@H]([NH3+])C[C@@H](C)CCC ZINC000126074860 573316381 /nfs/dbraw/zinc/31/63/81/573316381.db2.gz UOCIWGAPFZGZSB-QWHCGFSZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@H]([NH3+])C[C@H](C)CCC ZINC000126075072 573320107 /nfs/dbraw/zinc/32/01/07/573320107.db2.gz UOCIWGAPFZGZSB-OLZOCXBDSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@@]([NH3+])(CC)CC(CC)CC ZINC000128792305 573133573 /nfs/dbraw/zinc/13/35/73/573133573.db2.gz PLNZHIREUISUMT-ZDUSSCGKSA-N 1 0 199.382 4.110 10 0 AIAERO CCCC[C@]([NH3+])(CC)CC(CC)CC ZINC000128792500 573138229 /nfs/dbraw/zinc/13/82/29/573138229.db2.gz PLNZHIREUISUMT-CYBMUJFWSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@H]([NH3+])CC(CC)CC ZINC000133406007 573400923 /nfs/dbraw/zinc/40/09/23/573400923.db2.gz VGUYONQEUWZCQA-ZDUSSCGKSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@@H]([NH3+])CC(CC)CC ZINC000133406203 573394709 /nfs/dbraw/zinc/39/47/09/573394709.db2.gz VGUYONQEUWZCQA-CYBMUJFWSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@H]([NH3+])CCCC(C)C ZINC000133506892 573410158 /nfs/dbraw/zinc/41/01/58/573410158.db2.gz ANTVWIUVMLNEBH-ZDUSSCGKSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@@H]([NH3+])CCCC(C)C ZINC000133507115 573408243 /nfs/dbraw/zinc/40/82/43/573408243.db2.gz ANTVWIUVMLNEBH-CYBMUJFWSA-N 1 0 199.382 4.110 10 0 AIAERO [NH3+]C1CCCCCCCCCCCC1 ZINC000140103910 571784215 /nfs/dbraw/zinc/78/42/15/571784215.db2.gz UKSSFBFFNOWTQU-UHFFFAOYSA-N 1 0 197.366 4.009 10 0 AIAERO CC(C)[PH+](C(C)C)[Si](C)(C)C ZINC000196768369 344358753 /nfs/dbraw/zinc/35/87/53/344358753.db2.gz NLVFOIYZSCGONS-UHFFFAOYSA-N 1 0 190.343 4.120 10 0 AIAERO CCCCC/C=C/CCC[C@H]([NH3+])CC ZINC000211485992 572863890 /nfs/dbraw/zinc/86/38/90/572863890.db2.gz CTYHDBFBQKIURX-MMQHEFTJSA-N 1 0 197.366 4.031 10 0 AIAERO CCCCCC(C)(C[NH3+])CCCCC ZINC000217661183 572934807 /nfs/dbraw/zinc/93/48/07/572934807.db2.gz FFZRKWBRBANXHH-UHFFFAOYSA-N 1 0 199.382 4.112 10 0 AIAERO CCCCCC[C@@H](CC)[NH2+]CCCC ZINC000238204641 572330734 /nfs/dbraw/zinc/33/07/34/572330734.db2.gz JMAAOWXWIXJDHD-CYBMUJFWSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCC[C@@H](CCC)[NH2+]CCCC ZINC000238208829 572335467 /nfs/dbraw/zinc/33/54/67/572335467.db2.gz FLMOOVZENYCGTN-CYBMUJFWSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCCC[C@H](CC)[NH2+]CCCC ZINC000238221390 572371848 /nfs/dbraw/zinc/37/18/48/572371848.db2.gz JMAAOWXWIXJDHD-ZDUSSCGKSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCC[C@H](CCC)[NH2+]CCCC ZINC000238232200 572408487 /nfs/dbraw/zinc/40/84/87/572408487.db2.gz FLMOOVZENYCGTN-ZDUSSCGKSA-N 1 0 199.382 4.125 10 0 AIAERO CCCCC([NH3+])(CCCC)[C@@H](C)CC ZINC000238233118 572411767 /nfs/dbraw/zinc/41/17/67/572411767.db2.gz WXKMARQYBAFHGE-LBPRGKRZSA-N 1 0 199.382 4.110 10 0 AIAERO CCC[C@@H]([NH3+])CCCCCC(C)(C)C ZINC000300798091 571934847 /nfs/dbraw/zinc/93/48/47/571934847.db2.gz DKNJPJIEUVYTSA-GFCCVEGCSA-N 1 0 199.382 4.110 10 0 AIAERO CCC[C@H]([NH3+])CCCCCC(C)(C)C ZINC000300798095 571932392 /nfs/dbraw/zinc/93/23/92/571932392.db2.gz DKNJPJIEUVYTSA-LBPRGKRZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@H]([NH3+])[C@H](C)CCCC ZINC000300885191 572017152 /nfs/dbraw/zinc/01/71/52/572017152.db2.gz GRGUTHCEUJFSFY-OLZOCXBDSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@@H]([NH3+])[C@@H](C)CCCC ZINC000300885192 572016845 /nfs/dbraw/zinc/01/68/45/572016845.db2.gz GRGUTHCEUJFSFY-QWHCGFSZSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCCC[C@H]([NH3+])[C@@H](C)CCCC ZINC000300885193 572015658 /nfs/dbraw/zinc/01/56/58/572015658.db2.gz GRGUTHCEUJFSFY-STQMWFEESA-N 1 0 199.382 4.110 10 0 AIAERO CCCCC[C@@H]([NH3+])CCCC(C)(C)C ZINC000300915436 572044732 /nfs/dbraw/zinc/04/47/32/572044732.db2.gz SNIWZVZFGPRBGX-GFCCVEGCSA-N 1 0 199.382 4.110 10 0 AIAERO CCCCC[C@H]([NH3+])CCCC(C)(C)C ZINC000300915439 572045499 /nfs/dbraw/zinc/04/54/99/572045499.db2.gz SNIWZVZFGPRBGX-LBPRGKRZSA-N 1 0 199.382 4.110 10 0 AIAERO CC(C)(C)[C@H]1[C@@H]2CC[P@@H+]1CCCC2 ZINC000584590504 371834733 /nfs/dbraw/zinc/83/47/33/371834733.db2.gz ALOJGJIDJODABQ-VUDPYIQVSA-N 1 0 198.290 4.087 10 0 AIAERO CC(C)(C)[C@@H]1[C@@H]2CC[P@@H+]1CCCC2 ZINC000584590505 375552144 /nfs/dbraw/zinc/55/21/44/375552144.db2.gz ALOJGJIDJODABQ-WAQLSPKVSA-N 1 0 198.290 4.087 10 0 AIAERO C#[N+]c1cc(F)ccc1-c1ccccc1 ZINC000584635963 346737674 /nfs/dbraw/zinc/73/76/74/346737674.db2.gz ZTHANLWMIJPAQI-UHFFFAOYSA-N 1 0 197.212 4.043 10 0 AIAERO CCCCCC[C@@H]1CCCCC1=[NH2+] ZINC000584647251 346741411 /nfs/dbraw/zinc/74/14/11/346741411.db2.gz JFIJLTBZIFVIBM-LLVKDONJSA-N 1 0 181.323 4.167 10 0 AIAERO CCCCCC[C@H]1CCCCC1=[NH2+] ZINC000584647255 346741455 /nfs/dbraw/zinc/74/14/55/346741455.db2.gz JFIJLTBZIFVIBM-NSHDSACASA-N 1 0 181.323 4.167 10 0 AIAERO C#[N+]c1ccc(F)cc1-c1ccccc1 ZINC000584660724 346746413 /nfs/dbraw/zinc/74/64/13/346746413.db2.gz JKXSQPFKKDZJQR-UHFFFAOYSA-N 1 0 197.212 4.043 10 0 AIAERO CCC[PH+](CCC)C1C=CCC=C1 ZINC000642813673 573092688 /nfs/dbraw/zinc/09/26/88/573092688.db2.gz DQZHWJXAVYDCPP-UHFFFAOYSA-N 1 0 194.258 4.151 10 0 AIAERO